(3R,5R)-1-[2-(4-chloranyl-2-prop-2-enyl-phenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3R,5R)-1-[2-(4-chloranyl-2-prop-2-enyl-phenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[2-(2-allyl-4-chloro-phenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[2-(4-chloro-2-prop-2-enylphenoxy)ethyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[2-(4-chloro-2-prop-2-enylphenoxy)ethyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-[2-(2-allyl-4-chloro-phenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium Formula: C18H27ClNO+ MolecularWeight: 308.86608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCOC2=C(C=C(C=C2)Cl)CC=C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCOC2=C(C=C(C=C2)Cl)CC=C)C

InChI

InChI=1S/C18H26ClNO/c1-4-5-16-11-17(19)6-7-18(16)21-9-8-20-12-14(2)10-15(3)13-20/h4,6-7,11,14-15H,1,5,8-10,12-13H2,2-3H3/p+1/t14-,15-/m1/s1